3PRV

nucleoside diphosphate kinase b from trypanosoma cruzi

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -3.8804
• Hub Node: A(5)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-96.9424	10.7425	-344.522	-430.7219	111	16	11	12702	0	21	25
A-C	0.0	0.0	-0.0258	-0.0258	4	0	0	12	0	2	4
A-D	-13.217	8.8691	-44.0113	-48.3592	20	5	0	1169	0	4	6
A-E	-21.0658	-26.4919	-180.943	-228.5007	72	5	3	7376	1	27	28
A-F	-30.8885	-17.7738	-167.311	-215.9733	78	6	2	7335	1	28	28
B-C	-16.4168	-10.5309	-164.589	-191.5367	80	10	3	7540	0	27	27
B-D	-27.967	-10.4481	-183.023	-221.4381	74	8	3	7364	0	27	26
B-E	0.0	0.0	-0.0275	-0.0275	4	0	0	12	0	1	4
B-F	-10.949	8.1585	-38.738	-41.5284	21	6	0	1169	0	4	6
C-D	-50.9908	-13.9348	-192.461	-257.3867	78	8	3	7606	0	30	28
C-E	-23.6941	8.0512	-37.3565	-52.9994	22	9	0	1168	0	4	6
C-F	-99.1436	8.7051	-329.821	-420.2595	112	22	10	12565	0	19	24
D-E	-92.1964	11.5855	-320.263	-400.8739	113	19	10	12328	0	20	24
D-F	0.0	0.0	-0.0166	-0.0166	4	0	0	8	0	1	4
E-F	-32.8611	-12.9082	-179.217	-224.9863	79	9	3	7273	1	27	26

Interface residues

• A-B: ALA36A, ALA36B, ARG17A, ARG17B, ARG26A, ARG26B, ASN140A, ASN140B, ASP13A, ASP13B, CYS18A, CYS18B, GLN16A, GLN16B, GLN25A, GLN25B, GLN41A, GLN41B, GLU136A, GLU136B, GLU137A, GLU137B, GLU22A, GLU22B, GLU28A, GLU28B, GLY14A, GLY14B, GLY21A, GLY21B, GLY31A, GLY31B, GLY70A, GLY70B, GLY74A, GLY74B, HIS144A, HIS144B, ILE23A, ILE23B, ILE24A, ILE24B, ILE72A, ILE72B, LEU138A, LEU138B, LEU19A, LEU19B, LEU34A, LEU34B, LEU37A, LEU37B, LEU40A, LEU40B, LYS134A, LYS134B, LYS29A, LYS29B, LYS30A, LYS30B, LYS33A, LYS33B, LYS38A, LYS38B, MET39A, MET39B, MET75A, MET75B, PHE107A, PHE107B, PHE133A, PHE133B, PHE27A, PHE27B, PRO12A, PRO12B, PRO42A, PRO42B, PRO71A, PRO71B, SER143A, SER143B, SER145A, SER145B, SER69A, SER69B, THR142A, THR142B, TRP141A, TRP141B, TRP77A, TRP77B, TYR32A, TYR32B, VAL10A, VAL10B, VAL139A, VAL139B, VAL146A, VAL146B, VAL149A, VAL15A, VAL15B, VAL20A, VAL20B, VAL35A, VAL35B, VAL73A, VAL73B, VAL76A, VAL76B
• A-C: ARG17A, ARG17C, CYS18A, CYS18C
• A-D: GLN148A, GLN148D, GLN25A, HIS144A, HIS144D, LYS147A, LYS147D, LYS29D, SER143A, SER143D, SER145A, SER145D, THR142A, THR142D, TRP141A, TRP141D, VAL146A, VAL146D, VAL149A, VAL149D
• A-E: ALA108E, ALA96E, ARG104E, ARG113E, ARG17E, ARG26A, ARG26E, ARG87A, ASN114E, ASN94E, ASP106A, ASP106E, ASP110E, ASP13E, ASP62E, ASP97E, GLN148A, GLN16E, GLN25A, GLU151A, GLU22E, GLU28A, GLU78A, GLY101A, GLY101E, GLY105A, GLY105E, GLY112E, GLY14E, GLY31A, GLY79A, GLY81A, GLY85A, GLY91A, HIS144A, ILE103A, ILE103E, LEU19E, LEU63E, LEU89A, LEU90A, LEU99A, LEU99E, LYS147A, LYS29A, LYS30A, LYS33A, LYS80A, LYS84A, PHE107E, PHE27A, PRO100A, PRO100E, PRO12E, PRO95E, SER145A, SER98E, THR102A, THR102E, THR2A, TYR150A, TYR32A, TYR60E, TYR66E, VAL109E, VAL111E, VAL115E, VAL146A, VAL149A, VAL15E, VAL82A, VAL88A
• A-F: ALA108A, ALA92F, ALA96A, ARG104A, ARG113A, ARG17A, ARG26A, ARG26F, ARG87F, ASN114A, ASN94A, ASP106A, ASP106F, ASP110A, ASP13A, ASP62A, ASP97A, GLN148F, GLN16A, GLN25F, GLU151F, GLU22A, GLU28F, GLU78F, GLY101A, GLY101F, GLY105A, GLY105F, GLY112A, GLY14A, GLY31F, GLY79F, GLY81F, GLY85F, GLY91F, HIS144F, ILE103A, ILE103F, LEU19A, LEU63A, LEU89F, LEU90F, LEU99A, LEU99F, LYS147F, LYS29F, LYS30F, LYS33F, LYS57A, LYS80F, LYS84F, PHE107A, PHE27F, PHE59A, PRO100A, PRO100F, PRO12A, PRO95A, SER145F, SER3F, SER69A, SER98A, SER98F, THR102A, THR102F, THR2F, TYR150F, TYR32F, TYR60A, TYR66A, VAL109A, VAL111A, VAL115A, VAL146F, VAL149F, VAL15A, VAL82F, VAL88F
• B-C: ALA108C, ALA96C, ARG104C, ARG113C, ARG17C, ARG26B, ARG26C, ARG87B, ASN114C, ASN94C, ASP106B, ASP106C, ASP110C, ASP13C, ASP62C, ASP97C, CYS18C, GLN148B, GLN16C, GLN25B, GLU151B, GLU22C, GLU28B, GLU78B, GLY101B, GLY101C, GLY105B, GLY105C, GLY112C, GLY14C, GLY31B, GLY70C, GLY79B, GLY81B, GLY85B, GLY86B, GLY91B, HIS144B, ILE103B, ILE103C, LEU19C, LEU63C, LEU89B, LEU90B, LEU99B, LEU99C, LYS11C, LYS147B, LYS29B, LYS30B, LYS33B, LYS80B, LYS84B, MET1B, PHE107C, PHE27B, PHE59C, PRO100B, PRO100C, PRO12C, PRO95C, SER143B, SER145B, SER69C, SER98C, THR102B, THR102C, THR2B, TYR150B, TYR32B, TYR60C, TYR66C, VAL109C, VAL111C, VAL115C, VAL146B, VAL149B, VAL15C, VAL82B, VAL88B
• B-D: ALA108B, ALA96B, ARG104B, ARG113B, ARG17B, ARG26B, ARG26D, ARG87D, ASN114B, ASN94B, ASP106B, ASP106D, ASP110B, ASP13B, ASP62B, ASP97B, CYS18B, GLN148D, GLN16B, GLN25D, GLU151D, GLU22B, GLU28D, GLU78D, GLY101B, GLY101D, GLY105B, GLY105D, GLY112B, GLY14B, GLY31D, GLY79D, GLY81D, GLY85D, GLY86D, GLY91D, HIS144D, ILE103B, ILE103D, LEU19B, LEU63B, LEU89D, LEU90D, LEU99B, LEU99D, LYS147D, LYS29D, LYS30D, LYS33D, LYS80D, LYS84D, PHE107B, PHE27D, PHE59B, PRO100B, PRO100D, PRO12B, PRO95B, SER145D, SER98B, THR102B, THR102D, THR2D, TYR150D, TYR32D, TYR66B, VAL109B, VAL111B, VAL115B, VAL146D, VAL149D, VAL15B, VAL82D, VAL88D
• B-E: ARG17B, ARG17E, CYS18B, CYS18E
• B-F: GLN148B, GLN148F, GLN25F, HIS144B, HIS144F, LYS147B, LYS147F, LYS29B, LYS29F, SER143B, SER143F, SER145B, SER145F, THR142B, THR142F, TRP141B, TRP141F, VAL146B, VAL146F, VAL149B, VAL149F
• C-D: ALA108D, ALA92C, ALA96D, ARG104D, ARG113D, ARG17D, ARG26C, ARG26D, ARG87C, ASN114D, ASN94D, ASP106C, ASP106D, ASP110D, ASP13D, ASP62D, ASP97D, CYS18D, GLN148C, GLN16D, GLN25C, GLU151C, GLU22D, GLU28C, GLU78C, GLY101C, GLY101D, GLY105C, GLY105D, GLY112D, GLY14D, GLY31C, GLY79C, GLY81C, GLY85C, GLY91C, HIS144C, ILE103C, ILE103D, LEU19D, LEU63D, LEU89C, LEU90C, LEU99C, LEU99D, LYS11D, LYS147C, LYS29C, LYS30C, LYS33C, LYS57D, LYS80C, LYS84C, PHE107D, PHE27C, PHE59D, PRO100C, PRO100D, PRO12D, PRO58D, PRO95D, SER145C, SER69D, SER98D, THR102C, THR102D, THR2C, TYR150C, TYR32C, TYR66D, VAL109D, VAL111D, VAL115D, VAL146C, VAL149C, VAL15D, VAL82C, VAL88C
• C-E: GLN148C, GLN148E, GLN25C, GLN25E, HIS144C, HIS144E, LYS147C, LYS147E, LYS29C, LYS29E, SER143C, SER143E, SER145C, SER145E, THR142C, THR142E, TRP141C, TRP141E, VAL146C, VAL146E, VAL149C, VAL149E
• C-F: ALA36C, ALA36F, ARG17C, ARG17F, ARG26C, ARG26F, ASN140C, ASN140F, ASP13C, ASP13F, CYS18C, CYS18F, GLN16C, GLN16F, GLN25C, GLN25F, GLN41C, GLN41F, GLU136C, GLU136F, GLU137C, GLU137F, GLU22C, GLU22F, GLU28C, GLU28F, GLY14C, GLY14F, GLY21C, GLY21F, GLY31C, GLY31F, GLY70C, GLY70F, GLY74C, GLY74F, HIS144C, HIS144F, ILE23C, ILE23F, ILE24C, ILE24F, ILE72C, ILE72F, LEU138C, LEU138F, LEU19C, LEU19F, LEU34C, LEU34F, LEU37C, LEU37F, LEU40C, LEU40F, LYS134C, LYS134F, LYS29C, LYS29F, LYS30C, LYS30F, LYS33C, LYS33F, LYS38C, LYS38F, MET39C, MET39F, MET75C, MET75F, PHE107C, PHE107F, PHE133C, PHE133F, PHE27C, PHE27F, PRO12C, PRO12F, PRO42C, PRO42F, PRO71C, PRO71F, SER143C, SER143F, SER145C, SER145F, SER69C, SER69F, THR142C, THR142F, TRP141C, TRP141F, TRP77C, TRP77F, TYR32C, TYR32F, VAL10C, VAL10F, VAL139C, VAL139F, VAL146C, VAL146F, VAL149C, VAL149F, VAL15C, VAL15F, VAL20C, VAL20F, VAL35C, VAL35F, VAL73C, VAL73F, VAL76C, VAL76F
• D-E: ALA36D, ALA36E, ARG17D, ARG17E, ARG26D, ARG26E, ARG5D, ASN140D, ASN140E, ASP13D, ASP13E, CYS18D, CYS18E, GLN16D, GLN16E, GLN25D, GLN25E, GLN41D, GLN41E, GLU136D, GLU136E, GLU137D, GLU137E, GLU22D, GLU22E, GLU28D, GLU28E, GLY14D, GLY14E, GLY21D, GLY21E, GLY31D, GLY31E, GLY70D, GLY70E, GLY74D, GLY74E, HIS144D, HIS144E, ILE23D, ILE23E, ILE24D, ILE24E, ILE72D, ILE72E, LEU138D, LEU138E, LEU19D, LEU19E, LEU34D, LEU34E, LEU37D, LEU37E, LEU40D, LEU40E, LYS134D, LYS134E, LYS29D, LYS29E, LYS30D, LYS30E, LYS33D, LYS33E, LYS38D, LYS38E, MET39D, MET39E, MET75D, MET75E, PHE107D, PHE107E, PHE133D, PHE133E, PHE27D, PHE27E, PRO12D, PRO12E, PRO42D, PRO42E, PRO71D, PRO71E, SER143D, SER143E, SER145D, SER145E, SER69D, SER69E, THR142D, THR142E, TRP141D, TRP141E, TRP77D, TRP77E, TYR32D, TYR32E, VAL10D, VAL10E, VAL139D, VAL139E, VAL146D, VAL146E, VAL149D, VAL149E, VAL15D, VAL15E, VAL20D, VAL20E, VAL35D, VAL35E, VAL73D, VAL73E, VAL76D, VAL76E
• D-F: ARG17D, ARG17F, CYS18D, CYS18F
• E-F: ALA108F, ALA92E, ALA96F, ARG104F, ARG113F, ARG17F, ARG26E, ARG26F, ARG87E, ASN114F, ASN94F, ASP106E, ASP106F, ASP110F, ASP13F, ASP62F, ASP97F, CYS18F, GLN148E, GLN16F, GLN25E, GLU151E, GLU22F, GLU28E, GLU78E, GLY101E, GLY101F, GLY105E, GLY105F, GLY112F, GLY14F, GLY31E, GLY70F, GLY79E, GLY81E, GLY85E, GLY86E, GLY91E, HIS144E, ILE103E, ILE103F, LEU19F, LEU63F, LEU89E, LEU90E, LEU99E, LEU99F, LYS11F, LYS147E, LYS29E, LYS30E, LYS33E, LYS80E, LYS84E, PHE107F, PHE27E, PHE59F, PRO100E, PRO100F, PRO12F, PRO71F, PRO95F, SER145E, SER69F, SER98F, THR102E, THR102F, THR2E, TYR150E, TYR32E, TYR66F, VAL109F, VAL111F, VAL115F, VAL146E, VAL149E, VAL15F, VAL82E, VAL88E